CID 57941101

Methyl 2-(4-acetylpiperidin-1-yl)acetate

Structural Information

Molecular Formula
C10H17NO3
SMILES
CC(=O)C1CCN(CC1)CC(=O)OC
InChI
InChI=1S/C10H17NO3/c1-8(12)9-3-5-11(6-4-9)7-10(13)14-2/h9H,3-7H2,1-2H3
InChIKey
XERGTWLNIAANRY-UHFFFAOYSA-N
Compound name
methyl 2-(4-acetylpiperidin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

199.12085 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.128126 144.8
[M+Na]+ 222.110068 149.6
[M-H]- 198.113574 146.1
[M+NH4]+ 217.154673 162.4
[M+K]+ 238.084008 149.4
[M+H-H2O]+ 182.118110 138.2
[M+HCOO]- 244.119051 162.4
[M+CH3COO]- 258.134701 184.6
[M+Na-2H]- 220.095516 146.4
[M]+ 199.12030142 143.3
[M]- 199.12139858 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe